- class Atom(id, atomic_number, charge=0)
An abstract base class for atoms.
A subclass is made for each element. The name of each subclass is the periodic table symbol of that element.
Atoms of a particular element can be made with this class or with the subclass representing that element.
import stk # h0 is an instance of the H class. h0 = stk.Atom(id=0, atomic_number=1) # h1 is also an instance of the H class. h1 = stk.H(id=1)
When the class corresponding to the element is used directly, the
atomic_numberis not provided. Here are a few more examples.
# Both he0 and he1 are instances of the He class. he0 = stk.Atom(id=2, atomic_number=2) he1 = stk.He(id=3) # Both c0 and c1 are instances of the # C class. c0 = stk.Atom(id=4, atomic_number=6) c1 = stk.C(id=5)
Return a clone.
Get the atomic number of the atom.
Get the charge of the atom.
Get the id of the atom.
Get a clone but with a different id.
- __init__(id, atomic_number, charge=0)